2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(phenylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(phenylmethyl)azaniumyl]ethanoate Openeye Name: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonio]acetate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(phenylmethyl)ammonio]acetate IUPAC Name: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azaniumyl]acetate Traditional Name: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonio]acetate Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C[NH+](CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C[NH+](CC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C18H19NO4/c20-18(21)13-19(11-14-4-2-1-3-5-14)12-15-6-7-16-17(10-15)23-9-8-22-16/h1-7,10H,8-9,11-13H2,(H,20,21)